CID 4089834

887432-93-1

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC(C)(C)C(=O)N1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
InChI
InChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-9-8-14-12(10-20)15(16(21)22)11-6-4-5-7-13(11)19-14/h4-7H,8-10H2,1-3H3,(H,21,22)
InChIKey
VEXKRODUEWHSIM-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.1
[M+Na]+ 335.13662 185.0
[M+NH4]+ 330.18122 179.6
[M+K]+ 351.11056 179.9
[M-H]- 311.14012 173.2
[M+Na-2H]- 333.12207 176.3
[M]+ 312.14685 174.7
[M]- 312.14795 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.